CONFLIST LHG        LHGBK LHG01 LHG-1 

NATOM    LHGBK      85
NATOM    LHG01      38
NATOM    LHG-1      37

IATOM    LHGBK  C9  0
IATOM    LHGBK  C10 1
IATOM    LHGBK  C11 2
IATOM    LHGBK  C12 3
IATOM    LHGBK  C13 4
IATOM    LHGBK  C14 5
IATOM    LHGBK  C15 6
IATOM    LHGBK  C16 7
IATOM    LHGBK  C17 8
IATOM    LHGBK  C18 9
IATOM    LHGBK  C19 10
IATOM    LHGBK  C20 11
IATOM    LHGBK  C21 12
IATOM    LHGBK  C22 13
IATOM    LHGBK  C25 14
IATOM    LHGBK  C26 15
IATOM    LHGBK  C27 16
IATOM    LHGBK  C28 17
IATOM    LHGBK  C29 18
IATOM    LHGBK  C30 19
IATOM    LHGBK  C31 20
IATOM    LHGBK  C32 21
IATOM    LHGBK  C33 22
IATOM    LHGBK  C34 23
IATOM    LHGBK  C35 24
IATOM    LHGBK  C36 25
IATOM    LHGBK  C37 26
IATOM    LHGBK  C38 27
IATOM    LHGBK 1HC9 28
IATOM    LHGBK 2HC9 29
IATOM    LHGBK 1H10 30
IATOM    LHGBK 2H10 31
IATOM    LHGBK 1H11 32
IATOM    LHGBK 2H11 33
IATOM    LHGBK 1H12 34
IATOM    LHGBK 2H12 35
IATOM    LHGBK 1H13 36
IATOM    LHGBK 2H13 37
IATOM    LHGBK 1H14 38
IATOM    LHGBK 2H14 39
IATOM    LHGBK 1H15 40
IATOM    LHGBK 2H15 41
IATOM    LHGBK 1H16 42
IATOM    LHGBK 2H16 43
IATOM    LHGBK 1H17 44
IATOM    LHGBK 2H17 45
IATOM    LHGBK 1H18 46
IATOM    LHGBK 2H18 47
IATOM    LHGBK 1H19 48
IATOM    LHGBK 2H19 49
IATOM    LHGBK 1H20 50
IATOM    LHGBK 2H20 51
IATOM    LHGBK 1H21 52
IATOM    LHGBK 2H21 53
IATOM    LHGBK 1H22 54
IATOM    LHGBK 2H22 55
IATOM    LHGBK 3H22 56
IATOM    LHGBK 1H25 57
IATOM    LHGBK 2H25 58
IATOM    LHGBK 1H26 59
IATOM    LHGBK 2H26 60
IATOM    LHGBK 1H27 61
IATOM    LHGBK 2H27 62
IATOM    LHGBK 1H28 63
IATOM    LHGBK 2H28 64
IATOM    LHGBK 1H29 65
IATOM    LHGBK 2H29 66
IATOM    LHGBK 1H30 67
IATOM    LHGBK 1H31 68
IATOM    LHGBK 2H31 69
IATOM    LHGBK 1H32 70
IATOM    LHGBK 2H32 71
IATOM    LHGBK 1H33 72
IATOM    LHGBK 2H33 73
IATOM    LHGBK 1H34 74
IATOM    LHGBK 2H34 75
IATOM    LHGBK 1H35 76
IATOM    LHGBK 2H35 77
IATOM    LHGBK 1H36 78
IATOM    LHGBK 2H36 79
IATOM    LHGBK 1H37 80
IATOM    LHGBK 2H37 81
IATOM    LHGBK 1H38 82
IATOM    LHGBK 2H38 83
IATOM    LHGBK 3H38 84
IATOM    LHG01  O1  0
IATOM    LHG01  C1  1
IATOM    LHG01  C2  2
IATOM    LHG01  O2  3
IATOM    LHG01  C3  4
IATOM    LHG01  O3  5
IATOM    LHG01  P   6
IATOM    LHG01  O4  7
IATOM    LHG01  O5  8
IATOM    LHG01  O6  9
IATOM    LHG01  C4  10
IATOM    LHG01  C5  11
IATOM    LHG01  C6  12
IATOM    LHG01  O7  13
IATOM    LHG01  C7  14
IATOM    LHG01  O9  15
IATOM    LHG01  C8  16
IATOM    LHG01  O8  17
IATOM    LHG01  C23 18
IATOM    LHG01  O10 19
IATOM    LHG01  C24 20
IATOM    LHG01  HO1 21
IATOM    LHG01 1HC1 22
IATOM    LHG01 2HC1 23
IATOM    LHG01  HO2 24
IATOM    LHG01  HC2 25
IATOM    LHG01 1HC3 26
IATOM    LHG01 2HC3 27
IATOM    LHG01 1HC4 28
IATOM    LHG01 2HC4 29
IATOM    LHG01  HC5 30
IATOM    LHG01 1HC6 31
IATOM    LHG01 2HC6 32
IATOM    LHG01 1HC8 33
IATOM    LHG01 2HC8 34
IATOM    LHG01 1H24 35
IATOM    LHG01 2H24 36
IATOM    LHG01  HO4 37
IATOM    LHG-1  O1  0
IATOM    LHG-1  C1  1
IATOM    LHG-1  C2  2
IATOM    LHG-1  O2  3
IATOM    LHG-1  C3  4
IATOM    LHG-1  O3  5
IATOM    LHG-1  P   6
IATOM    LHG-1  O4  7
IATOM    LHG-1  O5  8
IATOM    LHG-1  O6  9
IATOM    LHG-1  C4  10
IATOM    LHG-1  C5  11
IATOM    LHG-1  C6  12
IATOM    LHG-1  O7  13
IATOM    LHG-1  C7  14
IATOM    LHG-1  O9  15
IATOM    LHG-1  C8  16
IATOM    LHG-1  O8  17
IATOM    LHG-1  C23 18
IATOM    LHG-1  O10 19
IATOM    LHG-1  C24 20
IATOM    LHG-1  HO1 21
IATOM    LHG-1 1HC1 22
IATOM    LHG-1 2HC1 23
IATOM    LHG-1  HO2 24
IATOM    LHG-1  HC2 25
IATOM    LHG-1 1HC3 26
IATOM    LHG-1 2HC3 27
IATOM    LHG-1 1HC4 28
IATOM    LHG-1 2HC4 29
IATOM    LHG-1  HC5 30
IATOM    LHG-1 1HC6 31
IATOM    LHG-1 2HC6 32
IATOM    LHG-1 1HC8 33
IATOM    LHG-1 2HC8 34
IATOM    LHG-1 1H24 35
IATOM    LHG-1 2H24 36

ATOMNAME LHGBK    0  C9 
ATOMNAME LHGBK    1  C10
ATOMNAME LHGBK    2  C11
ATOMNAME LHGBK    3  C12
ATOMNAME LHGBK    4  C13
ATOMNAME LHGBK    5  C14
ATOMNAME LHGBK    6  C15
ATOMNAME LHGBK    7  C16
ATOMNAME LHGBK    8  C17
ATOMNAME LHGBK    9  C18
ATOMNAME LHGBK   10  C19
ATOMNAME LHGBK   11  C20
ATOMNAME LHGBK   12  C21
ATOMNAME LHGBK   13  C22
ATOMNAME LHGBK   14  C25
ATOMNAME LHGBK   15  C26
ATOMNAME LHGBK   16  C27
ATOMNAME LHGBK   17  C28
ATOMNAME LHGBK   18  C29
ATOMNAME LHGBK   19  C30
ATOMNAME LHGBK   20  C31
ATOMNAME LHGBK   21  C32
ATOMNAME LHGBK   22  C33
ATOMNAME LHGBK   23  C34
ATOMNAME LHGBK   24  C35
ATOMNAME LHGBK   25  C36
ATOMNAME LHGBK   26  C37
ATOMNAME LHGBK   27  C38
ATOMNAME LHGBK   28 1HC9
ATOMNAME LHGBK   29 2HC9
ATOMNAME LHGBK   30 1H10
ATOMNAME LHGBK   31 2H10
ATOMNAME LHGBK   32 1H11
ATOMNAME LHGBK   33 2H11
ATOMNAME LHGBK   34 1H12
ATOMNAME LHGBK   35 2H12
ATOMNAME LHGBK   36 1H13
ATOMNAME LHGBK   37 2H13
ATOMNAME LHGBK   38 1H14
ATOMNAME LHGBK   39 2H14
ATOMNAME LHGBK   40 1H15
ATOMNAME LHGBK   41 2H15
ATOMNAME LHGBK   42 1H16
ATOMNAME LHGBK   43 2H16
ATOMNAME LHGBK   44 1H17
ATOMNAME LHGBK   45 2H17
ATOMNAME LHGBK   46 1H18
ATOMNAME LHGBK   47 2H18
ATOMNAME LHGBK   48 1H19
ATOMNAME LHGBK   49 2H19
ATOMNAME LHGBK   50 1H20
ATOMNAME LHGBK   51 2H20
ATOMNAME LHGBK   52 1H21
ATOMNAME LHGBK   53 2H21
ATOMNAME LHGBK   54 1H22
ATOMNAME LHGBK   55 2H22
ATOMNAME LHGBK   56 3H22
ATOMNAME LHGBK   57 1H25
ATOMNAME LHGBK   58 2H25
ATOMNAME LHGBK   59 1H26
ATOMNAME LHGBK   60 2H26
ATOMNAME LHGBK   61 1H27
ATOMNAME LHGBK   62 2H27
ATOMNAME LHGBK   63 1H28
ATOMNAME LHGBK   64 2H28
ATOMNAME LHGBK   65 1H29
ATOMNAME LHGBK   66 2H29
ATOMNAME LHGBK   67 1H30
ATOMNAME LHGBK   68 1H31
ATOMNAME LHGBK   69 2H31
ATOMNAME LHGBK   70 1H32
ATOMNAME LHGBK   71 2H32
ATOMNAME LHGBK   72 1H33
ATOMNAME LHGBK   73 2H33
ATOMNAME LHGBK   74 1H34
ATOMNAME LHGBK   75 2H34
ATOMNAME LHGBK   76 1H35
ATOMNAME LHGBK   77 2H35
ATOMNAME LHGBK   78 1H36
ATOMNAME LHGBK   79 2H36
ATOMNAME LHGBK   80 1H37
ATOMNAME LHGBK   81 2H37
ATOMNAME LHGBK   82 1H38
ATOMNAME LHGBK   83 2H38
ATOMNAME LHGBK   84 3H38
ATOMNAME LHG01    0  O1 
ATOMNAME LHG01    1  C1 
ATOMNAME LHG01    2  C2 
ATOMNAME LHG01    3  O2 
ATOMNAME LHG01    4  C3 
ATOMNAME LHG01    5  O3 
ATOMNAME LHG01    6  P  
ATOMNAME LHG01    7  O4 
ATOMNAME LHG01    8  O5 
ATOMNAME LHG01    9  O6 
ATOMNAME LHG01   10  C4 
ATOMNAME LHG01   11  C5 
ATOMNAME LHG01   12  C6 
ATOMNAME LHG01   13  O7 
ATOMNAME LHG01   14  C7 
ATOMNAME LHG01   15  O9 
ATOMNAME LHG01   16  C8 
ATOMNAME LHG01   17  O8 
ATOMNAME LHG01   18  C23
ATOMNAME LHG01   19  O10
ATOMNAME LHG01   20  C24
ATOMNAME LHG01   21  HO1
ATOMNAME LHG01   22 1HC1
ATOMNAME LHG01   23 2HC1
ATOMNAME LHG01   24  HO2
ATOMNAME LHG01   25  HC2
ATOMNAME LHG01   26 1HC3
ATOMNAME LHG01   27 2HC3
ATOMNAME LHG01   28 1HC4
ATOMNAME LHG01   29 2HC4
ATOMNAME LHG01   30  HC5
ATOMNAME LHG01   31 1HC6
ATOMNAME LHG01   32 2HC6
ATOMNAME LHG01   33 1HC8
ATOMNAME LHG01   34 2HC8
ATOMNAME LHG01   35 1H24
ATOMNAME LHG01   36 2H24
ATOMNAME LHG01   37  HO4
ATOMNAME LHG-1    0  O1 
ATOMNAME LHG-1    1  C1 
ATOMNAME LHG-1    2  C2 
ATOMNAME LHG-1    3  O2 
ATOMNAME LHG-1    4  C3 
ATOMNAME LHG-1    5  O3 
ATOMNAME LHG-1    6  P  
ATOMNAME LHG-1    7  O4 
ATOMNAME LHG-1    8  O5 
ATOMNAME LHG-1    9  O6 
ATOMNAME LHG-1   10  C4 
ATOMNAME LHG-1   11  C5 
ATOMNAME LHG-1   12  C6 
ATOMNAME LHG-1   13  O7 
ATOMNAME LHG-1   14  C7 
ATOMNAME LHG-1   15  O9 
ATOMNAME LHG-1   16  C8 
ATOMNAME LHG-1   17  O8 
ATOMNAME LHG-1   18  C23
ATOMNAME LHG-1   19  O10
ATOMNAME LHG-1   20  C24
ATOMNAME LHG-1   21  HO1
ATOMNAME LHG-1   22 1HC1
ATOMNAME LHG-1   23 2HC1
ATOMNAME LHG-1   24  HO2
ATOMNAME LHG-1   25  HC2
ATOMNAME LHG-1   26 1HC3
ATOMNAME LHG-1   27 2HC3
ATOMNAME LHG-1   28 1HC4
ATOMNAME LHG-1   29 2HC4
ATOMNAME LHG-1   30  HC5
ATOMNAME LHG-1   31 1HC6
ATOMNAME LHG-1   32 2HC6
ATOMNAME LHG-1   33 1HC8
ATOMNAME LHG-1   34 2HC8
ATOMNAME LHG-1   35 1H24
ATOMNAME LHG-1   36 2H24








#1.Basic Conformer Information: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   LHG01      0
PROTON   LHG-1      -1
PKA      LHG01      0.0
PKA      LHG-1      4.75
ELECTRON LHG01      0
ELECTRON LHG-1      0
EM       LHG01      0.0
EM       LHG-1      0.0
RXN      LHG01      -11.28
RXN      LHG-1      -23.42

###BAK
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  LHGBK  C9        sp3    0  C8     0  C10    0 1HC9    0 2HC9 
CONNECT  LHGBK  C10       sp3    0  C9     0  C11    0 1H10    0 2H10 
CONNECT  LHGBK  C11       sp3    0  C10    0  C12    0 1H11    0 2H11 
CONNECT  LHGBK  C12       sp3    0  C11    0  C13    0 1H12    0 2H12 
CONNECT  LHGBK  C13       sp3    0  C12    0  C14    0 1H13    0 2H13 
CONNECT  LHGBK  C14       sp3    0  C13    0  C15    0 1H14    0 2H14 
CONNECT  LHGBK  C15       sp3    0  C14    0  C16    0 1H15    0 2H15 
CONNECT  LHGBK  C16       sp3    0  C15    0  C17    0 1H16    0 2H16 
CONNECT  LHGBK  C17       sp3    0  C16    0  C18    0 1H17    0 2H17 
CONNECT  LHGBK  C18       sp3    0  C17    0  C19    0 1H18    0 2H18 
CONNECT  LHGBK  C19       sp3    0  C18    0  C20    0 1H19    0 2H19 
CONNECT  LHGBK  C20       sp3    0  C19    0  C21    0 1H20    0 2H20   
CONNECT  LHGBK  C21       sp3    0  C20    0  C22    0 1H21    0 2H21 
CONNECT  LHGBK  C22       sp3    0  C21    0 1H22    0 2H22    0 3H22 
CONNECT  LHGBK  C25       sp3    0  C24    0  C26    0 1H25    0 2H25 
CONNECT  LHGBK  C26       sp3    0  C25    0  C27    0 1H26    0 2H26 
CONNECT  LHGBK  C27       sp3    0  C26    0  C28    0 1H27    0 2H27 
CONNECT  LHGBK  C28       sp3    0  C27    0  C29    0 1H28    0 2H28 
CONNECT  LHGBK  C29       sp3    0  C28    0  C30    0 1H29    0 2H29 
CONNECT  LHGBK  C30       sp2    0  C29    0  C31    0 1H30 
CONNECT  LHGBK  C31       sp3    0  C30    0  C32    0 1H31    0 2H31 
CONNECT  LHGBK  C32       sp3    0  C31    0  C33    0 1H32    0 2H32 
CONNECT  LHGBK  C33       sp3    0  C32    0  C34    0 1H33    0 2H33 
CONNECT  LHGBK  C34       sp3    0  C33    0  C35    0 1H34    0 2H34 
CONNECT  LHGBK  C35       sp3    0  C34    0  C36    0 1H35    0 2H35 
CONNECT  LHGBK  C36       sp3    0  C35    0  C37    0 1H36    0 2H36 
CONNECT  LHGBK  C37       sp3    0  C36    0  C38    0 1H37    0 2H37 
CONNECT  LHGBK  C38       sp3    0  C37    0 1H38    0 2H38    0 3H38 
CONNECT  LHGBK 1HC9         s    0  C9  
CONNECT  LHGBK 2HC9         s    0  C9  
CONNECT  LHGBK 1H10         s    0  C10 
CONNECT  LHGBK 2H10         s    0  C10 
CONNECT  LHGBK 1H11         s    0  C11 
CONNECT  LHGBK 2H11         s    0  C11 
CONNECT  LHGBK 1H12         s    0  C12 
CONNECT  LHGBK 2H12         s    0  C12 
CONNECT  LHGBK 1H13         s    0  C13 
CONNECT  LHGBK 2H13         s    0  C13 
CONNECT  LHGBK 1H14         s    0  C14 
CONNECT  LHGBK 2H14         s    0  C14 
CONNECT  LHGBK 1H15         s    0  C15 
CONNECT  LHGBK 2H15         s    0  C15 
CONNECT  LHGBK 1H16         s    0  C16 
CONNECT  LHGBK 2H16         s    0  C16 
CONNECT  LHGBK 1H17         s    0  C17 
CONNECT  LHGBK 2H17         s    0  C17 
CONNECT  LHGBK 1H18         s    0  C18 
CONNECT  LHGBK 2H18         s    0  C18 
CONNECT  LHGBK 1H19         s    0  C19 
CONNECT  LHGBK 2H19         s    0  C19 
CONNECT  LHGBK 1H20         s    0  C20 
CONNECT  LHGBK 2H20         s    0  C20 
CONNECT  LHGBK 1H21         s    0  C21 
CONNECT  LHGBK 2H21         s    0  C21 
CONNECT  LHGBK 1H22         s    0  C22 
CONNECT  LHGBK 2H22         s    0  C22 
CONNECT  LHGBK 3H22         s    0  C22 
CONNECT  LHGBK 1H25         s    0  C25 
CONNECT  LHGBK 2H25         s    0  C25 
CONNECT  LHGBK 1H26         s    0  C26 
CONNECT  LHGBK 2H26         s    0  C26 
CONNECT  LHGBK 1H27         s    0  C27 
CONNECT  LHGBK 2H27         s    0  C27 
CONNECT  LHGBK 1H28         s    0  C28 
CONNECT  LHGBK 2H28         s    0  C28 
CONNECT  LHGBK 1H29         s    0  C29 
CONNECT  LHGBK 2H29         s    0  C29 
CONNECT  LHGBK 1H30         s    0  C30 
CONNECT  LHGBK 1H31         s    0  C31 
CONNECT  LHGBK 2H31         s    0  C31 
CONNECT  LHGBK 1H32         s    0  C32 
CONNECT  LHGBK 2H32         s    0  C32 
CONNECT  LHGBK 1H33         s    0  C33 
CONNECT  LHGBK 2H33         s    0  C33 
CONNECT  LHGBK 1H34         s    0  C34 
CONNECT  LHGBK 2H34         s    0  C34 
CONNECT  LHGBK 1H35         s    0  C35 
CONNECT  LHGBK 2H35         s    0  C35 
CONNECT  LHGBK 1H36         s    0  C36 
CONNECT  LHGBK 2H36         s    0  C36 
CONNECT  LHGBK 1H37         s    0  C37 
CONNECT  LHGBK 2H37         s    0  C37 
CONNECT  LHGBK 1H38         s    0  C38 
CONNECT  LHGBK 2H38         s    0  C38 
CONNECT  LHGBK 3H38         s    0  C38 

##LHG01
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
CONNECT  LHG01  O1        sp3    0  C1     0  HO1 
CONNECT  LHG01  C1        sp3    0  O1     0  C2     0 1HC1    0 2HC1 
CONNECT  LHG01  C2        sp3    0  C1     0  O2     0  C3     0  HC2 
CONNECT  LHG01  O2        sp3    0  C2     0  HO2 
CONNECT  LHG01  C3        sp3    0  C2     0  O3     0 1HC3    0 2HC3 
CONNECT  LHG01  O3        sp3    0  C3     0  P   
CONNECT  LHG01  P         sp3    0  O3     0  O4     0  O5     0  O6  
CONNECT  LHG01  O4        sp3    0  P      0  HO4   
CONNECT  LHG01  O5        sp2    0  P   
CONNECT  LHG01  O6        sp3    0  P      0  C4  
CONNECT  LHG01  C4        sp3    0  O6     0  C5     0 1HC4    0 2HC4 
CONNECT  LHG01  C5        sp3    0  C4     0  C6     0  O7     0  HC5 
CONNECT  LHG01  C6        sp3    0  C5     0  O8     0 1HC6    0 2HC6 
CONNECT  LHG01  O7        sp3    0  C5     0  C7  
CONNECT  LHG01  C7        sp2    0  O7     0  O9     0  C8  
CONNECT  LHG01  O9        sp2    0  C7  
CONNECT  LHG01  C8        sp3    0  C7     0  C9     0 1HC8    0 2HC8 
CONNECT  LHG01  O8        sp3    0  C6     0  C23 
CONNECT  LHG01  C23       sp2    0  O8     0  O10    0  C24 
CONNECT  LHG01  O10       sp2    0  C23 
CONNECT  LHG01  C24       sp3    0  C23    0  C25    0 1H24    0 2H24 
CONNECT  LHG01  HO1         s    0  O1  
CONNECT  LHG01 1HC1         s    0  C1  
CONNECT  LHG01 2HC1         s    0  C1  
CONNECT  LHG01  HO2         s    0  O2  
CONNECT  LHG01  HC2         s    0  C2  
CONNECT  LHG01 1HC3         s    0  C3  
CONNECT  LHG01 2HC3         s    0  C3  
CONNECT  LHG01 1HC4         s    0  C4  
CONNECT  LHG01 2HC4         s    0  C4  
CONNECT  LHG01  HC5         s    0  C5  
CONNECT  LHG01 1HC6         s    0  C6  
CONNECT  LHG01 2HC6         s    0  C6  
CONNECT  LHG01 1HC8         s    0  C8  
CONNECT  LHG01 2HC8         s    0  C8  
CONNECT  LHG01 1H24         s    0  C24 
CONNECT  LHG01 2H24         s    0  C24 
CONNECT  LHG01  HO4         s    0  O4

##LHG-1
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
CONNECT  LHG-1  O1        sp3    0  C1     0  HO1 
CONNECT  LHG-1  C1        sp3    0  O1     0  C2     0 1HC1    0 2HC1 
CONNECT  LHG-1  C2        sp3    0  C1     0  O2     0  C3     0  HC2 
CONNECT  LHG-1  O2        sp3    0  C2     0  HO2 
CONNECT  LHG-1  C3        sp3    0  C2     0  O3     0 1HC3    0 2HC3 
CONNECT  LHG-1  O3        sp3    0  C3     0  P   
CONNECT  LHG-1  P         sp3    0  O3     0  O4     0  O5     0  O6  
CONNECT  LHG-1  O4        sp3    0  P         
CONNECT  LHG-1  O5        sp2    0  P   
CONNECT  LHG-1  O6        sp3    0  P      0  C4  
CONNECT  LHG-1  C4        sp3    0  O6     0  C5     0 1HC4    0 2HC4 
CONNECT  LHG-1  C5        sp3    0  C4     0  C6     0  O7     0  HC5 
CONNECT  LHG-1  C6        sp3    0  C5     0  O8     0 1HC6    0 2HC6 
CONNECT  LHG-1  O7        sp3    0  C5     0  C7  
CONNECT  LHG-1  C7        sp2    0  O7     0  O9     0  C8  
CONNECT  LHG-1  O9        sp2    0  C7  
CONNECT  LHG-1  C8        sp3    0  C7     0  C9     0 1HC8    0 2HC8 
CONNECT  LHG-1  O8        sp3    0  C6     0  C23 
CONNECT  LHG-1  C23       sp2    0  O8     0  O10    0  C24 
CONNECT  LHG-1  O10       sp2    0  C23 
CONNECT  LHG-1  C24       sp3    0  C23    0  C25    0 1H24    0 2H24 
CONNECT  LHG-1  HO1         s    0  O1  
CONNECT  LHG-1 1HC1         s    0  C1  
CONNECT  LHG-1 2HC1         s    0  C1  
CONNECT  LHG-1  HO2         s    0  O2  
CONNECT  LHG-1  HC2         s    0  C2  
CONNECT  LHG-1 1HC3         s    0  C3  
CONNECT  LHG-1 2HC3         s    0  C3  
CONNECT  LHG-1 1HC4         s    0  C4  
CONNECT  LHG-1 2HC4         s    0  C4  
CONNECT  LHG-1  HC5         s    0  C5  
CONNECT  LHG-1 1HC6         s    0  C6  
CONNECT  LHG-1 2HC6         s    0  C6  
CONNECT  LHG-1 1HC8         s    0  C8  
CONNECT  LHG-1 2HC8         s    0  C8  
CONNECT  LHG-1 1H24         s    0  C24 
CONNECT  LHG-1 2H24         s    0  C24 

#3.Atom Parameters: Partial Charges and Radii
#23456789A123456789B123456789C
RADIUS   LHG    O1  1.60
RADIUS   LHG    C1  1.80
RADIUS   LHG    C2  1.80
RADIUS   LHG    O2  1.60
RADIUS   LHG    C3  1.80
RADIUS   LHG    O3  1.60
RADIUS   LHG    P   1.80
RADIUS   LHG    O4  1.60
RADIUS   LHG    O5  1.60
RADIUS   LHG    O6  1.60
RADIUS   LHG    C4  1.80
RADIUS   LHG    C5  1.80
RADIUS   LHG    C6  1.80
RADIUS   LHG    O7  1.60
RADIUS   LHG    C7  1.80
RADIUS   LHG    O9  1.60
RADIUS   LHG    C8  1.80
RADIUS   LHG    C9  1.80
RADIUS   LHG    C10 1.80
RADIUS   LHG    O8  1.60
RADIUS   LHG    C23 1.80
RADIUS   LHG    O10 1.60
RADIUS   LHG    C24 1.80
RADIUS   LHG    C11 1.80
RADIUS   LHG    C12 1.80
RADIUS   LHG    C13 1.80
RADIUS   LHG    C14 1.80
RADIUS   LHG    C15 1.80
RADIUS   LHG    C16 1.80
RADIUS   LHG    C17 1.80
RADIUS   LHG    C18 1.80
RADIUS   LHG    C19 1.80
RADIUS   LHG    C20 1.80
RADIUS   LHG    C21 1.80
RADIUS   LHG    C22 1.80
RADIUS   LHG    C25 1.80
RADIUS   LHG    C26 1.80
RADIUS   LHG    C27 1.80
RADIUS   LHG    C28 1.80
RADIUS   LHG    C29 1.80
RADIUS   LHG    C30 1.80
RADIUS   LHG    C31 1.80
RADIUS   LHG    C32 1.80
RADIUS   LHG    C33 1.80
RADIUS   LHG    C34 1.80
RADIUS   LHG    C35 1.80
RADIUS   LHG    C36 1.80
RADIUS   LHG    C37 1.80
RADIUS   LHG    C38 1.80
RADIUS   LHG    HO1 1.20
RADIUS   LHG   1HC1 1.20
RADIUS   LHG   2HC1 1.20
RADIUS   LHG    HO2 1.20
RADIUS   LHG    HC2 1.20
RADIUS   LHG   1HC3 1.20
RADIUS   LHG   2HC3 1.20
RADIUS   LHG    HO4 1.20
RADIUS   LHG   1HC4 1.20
RADIUS   LHG   2HC4 1.20
RADIUS   LHG    HC5 1.20
RADIUS   LHG   1HC6 1.20
RADIUS   LHG   2HC6 1.20
RADIUS   LHG   1HC8 1.20
RADIUS   LHG   2HC8 1.20
RADIUS   LHG   1HC9 1.20
RADIUS   LHG   2HC9 1.20
RADIUS   LHG   1H10 1.20
RADIUS   LHG   2H10 1.20
RADIUS   LHG   1H11 1.20
RADIUS   LHG   2H11 1.20
RADIUS   LHG   1H12 1.20
RADIUS   LHG   2H12 1.20
RADIUS   LHG   1H13 1.20
RADIUS   LHG   2H13 1.20
RADIUS   LHG   1H14 1.20
RADIUS   LHG   2H14 1.20
RADIUS   LHG   1H15 1.20
RADIUS   LHG   2H15 1.20
RADIUS   LHG   1H16 1.20
RADIUS   LHG   2H16 1.20
RADIUS   LHG   1H17 1.20
RADIUS   LHG   2H17 1.20
RADIUS   LHG   1H18 1.20
RADIUS   LHG   2H18 1.20
RADIUS   LHG   1H19 1.20
RADIUS   LHG   2H19 1.20
RADIUS   LHG   1H20 1.20
RADIUS   LHG   2H20 1.20
RADIUS   LHG   1H21 1.20
RADIUS   LHG   2H21 1.20
RADIUS   LHG   1H22 1.20
RADIUS   LHG   2H22 1.20
RADIUS   LHG   3H22 1.20
RADIUS   LHG   1H24 1.20
RADIUS   LHG   2H24 1.20
RADIUS   LHG   1H25 1.20
RADIUS   LHG   2H25 1.20
RADIUS   LHG   1H26 1.20
RADIUS   LHG   2H26 1.20
RADIUS   LHG   1H27 1.20
RADIUS   LHG   2H27 1.20
RADIUS   LHG   1H28 1.20
RADIUS   LHG   2H28 1.20
RADIUS   LHG   1H29 1.20
RADIUS   LHG   2H29 1.20
RADIUS   LHG   1H30 1.20
RADIUS   LHG   1H31 1.20
RADIUS   LHG   2H31 1.20
RADIUS   LHG   1H32 1.20
RADIUS   LHG   2H32 1.20
RADIUS   LHG   1H33 1.20
RADIUS   LHG   2H33 1.20
RADIUS   LHG   1H34 1.20
RADIUS   LHG   2H34 1.20
RADIUS   LHG   1H35 1.20
RADIUS   LHG   2H35 1.20
RADIUS   LHG   1H36 1.20
RADIUS   LHG   2H36 1.20
RADIUS   LHG   1H37 1.20
RADIUS   LHG   2H37 1.20
RADIUS   LHG   1H38 1.20
RADIUS   LHG   2H38 1.20
RADIUS   LHG   3H38 1.20


#23456789A123456789B123456789C
#BAK
CHARGE   LHGBK  C9   0.00
CHARGE   LHGBK  C10  0.00
CHARGE   LHGBK  C11  0.00
CHARGE   LHGBK  C12  0.00
CHARGE   LHGBK  C13  0.00
CHARGE   LHGBK  C14  0.00
CHARGE   LHGBK  C15  0.00
CHARGE   LHGBK  C16  0.00
CHARGE   LHGBK  C17  0.00
CHARGE   LHGBK  C18  0.00
CHARGE   LHGBK  C19  0.00
CHARGE   LHGBK  C20  0.00
CHARGE   LHGBK  C21  0.00
CHARGE   LHGBK  C22  0.00
CHARGE   LHGBK  C25  0.00
CHARGE   LHGBK  C26  0.00
CHARGE   LHGBK  C27  0.00
CHARGE   LHGBK  C28  0.00
CHARGE   LHGBK  C29  0.00
CHARGE   LHGBK  C30  0.00
CHARGE   LHGBK  C31  0.00
CHARGE   LHGBK  C32  0.00
CHARGE   LHGBK  C33  0.00
CHARGE   LHGBK  C34  0.00
CHARGE   LHGBK  C35  0.00
CHARGE   LHGBK  C36  0.00
CHARGE   LHGBK  C37  0.00
CHARGE   LHGBK  C38  0.00
CHARGE   LHGBK  1HC9 0.00
CHARGE   LHGBK  2HC9 0.00
CHARGE   LHGBK  1H10 0.00
CHARGE   LHGBK  2H10 0.00
CHARGE   LHGBK  1H11 0.00
CHARGE   LHGBK  2H11 0.00
CHARGE   LHGBK  1H12 0.00
CHARGE   LHGBK  2H12 0.00
CHARGE   LHGBK  1H13 0.00
CHARGE   LHGBK  2H13 0.00
CHARGE   LHGBK  1H14 0.00
CHARGE   LHGBK  2H14 0.00
CHARGE   LHGBK  1H15 0.00
CHARGE   LHGBK  2H15 0.00
CHARGE   LHGBK  1H16 0.00
CHARGE   LHGBK  2H16 0.00
CHARGE   LHGBK  1H17 0.00
CHARGE   LHGBK  2H17 0.00
CHARGE   LHGBK  1H18 0.00
CHARGE   LHGBK  2H18 0.00
CHARGE   LHGBK  1H19 0.00
CHARGE   LHGBK  2H19 0.00
CHARGE   LHGBK  1H20 0.00
CHARGE   LHGBK  2H20 0.00
CHARGE   LHGBK  1H21 0.00
CHARGE   LHGBK  2H21 0.00
CHARGE   LHGBK  1H22 0.00
CHARGE   LHGBK  2H22 0.00
CHARGE   LHGBK  3H22 0.00
CHARGE   LHGBK  1H25 0.00
CHARGE   LHGBK  2H25 0.00
CHARGE   LHGBK  1H26 0.00
CHARGE   LHGBK  2H26 0.00
CHARGE   LHGBK  1H27 0.00
CHARGE   LHGBK  2H27 0.00
CHARGE   LHGBK  1H28 0.00
CHARGE   LHGBK  2H28 0.00
CHARGE   LHGBK  1H29 0.00
CHARGE   LHGBK  2H29 0.00
CHARGE   LHGBK  1H30 0.00
CHARGE   LHGBK  1H31 0.00
CHARGE   LHGBK  2H31 0.00
CHARGE   LHGBK  1H32 0.00
CHARGE   LHGBK  2H32 0.00
CHARGE   LHGBK  1H33 0.00
CHARGE   LHGBK  2H33 0.00
CHARGE   LHGBK  1H34 0.00
CHARGE   LHGBK  2H34 0.00
CHARGE   LHGBK  1H35 0.00
CHARGE   LHGBK  2H35 0.00
CHARGE   LHGBK  1H36 0.00
CHARGE   LHGBK  2H36 0.00
CHARGE   LHGBK  1H37 0.00
CHARGE   LHGBK  2H37 0.00
CHARGE   LHGBK  1H38 0.00
CHARGE   LHGBK  2H38 0.00
CHARGE   LHGBK  3H38 0.00

#23456789A123456789B123456789C
#LHG01-----
CHARGE   LHG01  O1  -0.696088
CHARGE   LHG01  C1   0.242847
CHARGE   LHG01  C2   0.36019
CHARGE   LHG01  O2  -0.727903
CHARGE   LHG01  C3  -0.020924
CHARGE   LHG01  O3  -0.485329
CHARGE   LHG01  P    1.414016
CHARGE   LHG01  O4  -0.70575
CHARGE   LHG01  O5  -0.658992
CHARGE   LHG01  O6  -0.565711
CHARGE   LHG01  C4   0.230933
CHARGE   LHG01  C5   0.45832
CHARGE   LHG01  C6   0.244903
CHARGE   LHG01  O7  -0.679753
CHARGE   LHG01  C7   0.986639
CHARGE   LHG01  O9  -0.644698
CHARGE   LHG01  C8  -0.447041
CHARGE   LHG01  O8  -0.541058
CHARGE   LHG01  C23  0.948354
CHARGE   LHG01  O10 -0.648132
CHARGE   LHG01  C24 -0.420462
CHARGE   LHG01  HO1  0.419014
CHARGE   LHG01 1HC1  0.041046
CHARGE   LHG01 2HC1 -0.006213
CHARGE   LHG01  HO2  0.42322
CHARGE   LHG01  HC2  0.039975
CHARGE   LHG01 1HC3  0.074218
CHARGE   LHG01 2HC3  0.096614
CHARGE   LHG01 1HC4  0.00619
CHARGE   LHG01 2HC4  0.01835
CHARGE   LHG01  HC5 -0.002913
CHARGE   LHG01 1HC6  0.00101
CHARGE   LHG01 2HC6  0.018218
CHARGE   LHG01 1HC8  0.131657
CHARGE   LHG01 2HC8  0.129112
CHARGE   LHG01 1H24  0.248135
CHARGE   LHG01 2H24  0.269182
CHARGE   LHG01  HO4  0.450404
  

#23456789A123456789B123456789C
#LHG-1-----
CHARGE   LHG-1  O1  -0.71239
CHARGE   LHG-1  C1   0.235102
CHARGE   LHG-1  C2   0.391075
CHARGE   LHG-1  O2  -0.7371
CHARGE   LHG-1  C3   0.095845
CHARGE   LHG-1  O3  -0.554392
CHARGE   LHG-1  P    1.406482
CHARGE   LHG-1  O4  -0.832128
CHARGE   LHG-1  O5  -0.855167
CHARGE   LHG-1  O6  -0.578997
CHARGE   LHG-1  C4   0.273781
CHARGE   LHG-1  C5   0.445694
CHARGE   LHG-1  C6   0.245569
CHARGE   LHG-1  O7  -0.708622
CHARGE   LHG-1  C7   1.011672
CHARGE   LHG-1  O9  -0.670868
CHARGE   LHG-1  C8  -0.424593
CHARGE   LHG-1  O8  -0.512953
CHARGE   LHG-1  C23  0.948771
CHARGE   LHG-1  O10 -0.659526
CHARGE   LHG-1  C24 -0.424398
CHARGE   LHG-1  HO1  0.413791
CHARGE   LHG-1 1HC1  0.028171
CHARGE   LHG-1 2HC1  -0.033269
CHARGE   LHG-1  HO2  0.427195
CHARGE   LHG-1  HC2  0.004639
CHARGE   LHG-1 1HC3  0.053657
CHARGE   LHG-1 2HC3  0.029191
CHARGE   LHG-1 1HC4 -0.032291
CHARGE   LHG-1 2HC4  0.00378
CHARGE   LHG-1  HC5 -0.000355
CHARGE   LHG-1 1HC6  0.016315
CHARGE   LHG-1 2HC6 -0.004956
CHARGE   LHG-1 1HC8  0.108685
CHARGE   LHG-1 2HC8  0.124656
CHARGE   LHG-1 1H24  0.227956
CHARGE   LHG-1 2H24  0.249629

